3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide

C16H22N2O4 — CID 72934862

IUPAC3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)N1CCOCC1CO
InChIInChI=1S/C16H22N2O4/c1-12(2)10-22-15-6-4-3-5-14(15)17-16(20)18-7-8-21-11-13(18)9-19/h3-6,13,19H,1,7-11H2,2H3,(H,17,20)
InChIKeyPVIJFBKSXJLQBO-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.87
Rot. Bonds5

About 3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide

3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide (PubChem CID 72934862) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide
PubChem CID72934862
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)N1CCOCC1CO
InChIInChI=1S/C16H22N2O4/c1-12(2)10-22-15-6-4-3-5-14(15)17-16(20)18-7-8-21-11-13(18)9-19/h3-6,13,19H,1,7-11H2,2H3,(H,17,20)
InChIKeyPVIJFBKSXJLQBO-UHFFFAOYSA-N
XLogP1.87
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide (CID 72934862) is 3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide is C=C(C)COc1ccccc1NC(=O)N1CCOCC1CO.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide?
The InChIKey is PVIJFBKSXJLQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(2)10-22-15-6-4-3-5-14(15)17-16(20)18-7-8-21-11-13(18)9-19/h3-6,13,19H,1,7-11H2,2H3,(H,17,20).
What are the key properties of 3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide?
3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 72934862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).